3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

C22H18FN5O3 — CID 134328465

IUPAC3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C22H18FN5O3/c1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20/h2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31)
InChIKeyHZATZXZXLAYGPA-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.22
Rot. Bonds5

About 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 134328465) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID134328465
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C22H18FN5O3/c1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20/h2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31)
InChIKeyHZATZXZXLAYGPA-UHFFFAOYSA-N
XLogP3.22
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 134328465) is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1.
What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is HZATZXZXLAYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20/h2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 419.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 134328465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).